(3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone

C26H31N5O2S — CID 58706546

About (3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone

(3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone (PubChem CID 58706546) has the molecular formula C26H31N5O2S and a molecular weight of 477.63 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone.

Molecular Properties

• Compound Name: (3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone
• PubChem CID: 58706546
• Molecular Formula: C26H31N5O2S
• Molecular Weight: 477.63 g/mol
• Exact Mass: 477.22
• IUPAC Name: (3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone
• SMILES: Cc1ccnc(Nc2cccc(-c3cnc(C4CCC(C(=O)N5CCCC(O)C5)CC4)s3)n2)c1
• InChI: InChI=1S/C26H31N5O2S/c1-17-11-12-27-24(14-17)30-23-6-2-5-21(29-23)22-15-28-25(34-22)18-7-9-19(10-8-18)26(33)31-13-3-4-20(32)16-31/h2,5-6,11-12,14-15,18-20,32H,3-4,7-10,13,16H2,1H3,(H,27,29,30)
• InChIKey: VAKRAZGYADZHKL-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 91.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.63
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone?

The IUPAC name of (3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone (CID 58706546) is (3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone.

What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone?

The canonical SMILES for (3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone is Cc1ccnc(Nc2cccc(-c3cnc(C4CCC(C(=O)N5CCCC(O)C5)CC4)s3)n2)c1.

What is the InChIKey of (3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone?

The InChIKey is VAKRAZGYADZHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2S/c1-17-11-12-27-24(14-17)30-23-6-2-5-21(29-23)22-15-28-25(34-22)18-7-9-19(10-8-18)26(33)31-13-3-4-20(32)16-31/h2,5-6,11-12,14-15,18-20,32H,3-4,7-10,13,16H2,1H3,(H,27,29,30).

What are the key properties of (3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone?

(3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone has a molecular weight of 477.63 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxypiperidin-1-yl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclohexyl]methanone is sourced from PubChem (CID 58706546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).